Indapamide

Basic Info

FADB-China IDC0547
Substance NameDiuretics
Substance Chinese Name利尿剂
Molecular NameIndapamide
Molecular Chinese Name吲达帕胺
2D StructureNo image
CAS Number26807-65-8
PubChem CID3702
FormulaC16H16ClN3O3S
IUPAC Name4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide
InChI KeyNDDAHWYSQHTHNT-UHFFFAOYSA-N
InChIInChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)
Canonical SMILES

CC1CC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N

Isomeric SMILES

CC1CC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N

CFM-ID 3.0URL Link
Related linksProcessing
Addition PurposesEnhance health care function
Molecular Synonyms
        
            Indapamide
        
            26807-65-8
        
            Noranat
        
            Tertensif
        
            Veroxil
        
            Lozol
        
            Indaflex
        
            Arifon
        
            Indamol
        
            Fludex
Data UploaderShuyu Ouyang
Update DateJul 25, 2019 20:46

Properties

Property NameProperty Value
Molecular Weight365.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Complexity580
Monoisotopic Mass365.0600903
Exact Mass365.0600903
XLogP2.9
Formal Charge0
Heavy Atom Count24
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count1

ADMET

Model Result Probability
Absorption
Blood-Brain BarrierBBB+0.8868
Human Intestinal AbsorptionHIA+1.0000
Caco-2 PermeabilityCaco2-0.5529
P-glycoprotein SubstrateNon-substrate0.6859
P-glycoprotein InhibitorNon-inhibitor0.9158
Non-inhibitor0.9179
Renal Organic Cation TransporterNon-inhibitor0.8575
Distribution
Subcellular localizationMitochondria0.4101
Metabolism
CYP450 2C9 SubstrateNon-substrate0.5265
CYP450 2D6 SubstrateNon-substrate0.7924
CYP450 3A4 SubstrateNon-substrate0.5190
CYP450 1A2 InhibitorInhibitor0.5820
CYP450 2C9 InhibitorNon-inhibitor0.5775
CYP450 2D6 InhibitorNon-inhibitor0.8151
CYP450 2C19 InhibitorNon-inhibitor0.6572
CYP450 3A4 InhibitorNon-inhibitor0.8309
CYP Inhibitory PromiscuityHigh CYP Inhibitory Promiscuity0.7471
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.9860
Non-inhibitor0.8804
AMES ToxicityNon AMES toxic0.6869
CarcinogensNon-carcinogens0.7674
Fish ToxicityHigh FHMT0.9912
Tetrahymena Pyriformis ToxicityHigh TPT0.8758
Honey Bee ToxicityLow HBT0.8572
BiodegradationNot ready biodegradable0.9862
Acute Oral ToxicityIII0.7853
Carcinogenicity (Three-class)Non-required0.6473

ADMET -- Regression

Model Value Unit
Aqueous solubility-3.5275LogS
Caco-2 Permeability1.1615LogPapp, cm/s
Rat Acute Toxicity2.0823LD50, mol/kg
Fish Toxicity1.6744pLC50, mg/L
Tetrahymena Pyriformis Toxicity0.4193pIGC50, ug/L

Related Foods

FADB-China ID F0142
Food Image No Pictures
Food Name Plant food supplements
Food Chinese Name 植物食品补充剂
Food Type Processed food
References Adulteration of Dietary Supplements by the Illegal Addition of Synthetic Drugs: A Review

References

TitleDOI/PubMed/ISSN
Simultaneous Determination of 10 Adulterants in Antihypertensive Functional Foods Using Multi-Walled Carbon Nanotubes-Dispersive Solid-Phase Extraction Coupled with High Performance Liquid Chromatography. 25840433
Adulteration of Dietary Supplements by the Illegal Addition of Synthetic Drugs: A Review